#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dby h TYR 6 N 0.00 0.99 -0.41 -2.53 3.20 -1.95 -1.65 116.97 114.63 3dby h TYR 6 Ca 0.00 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 3dby h TYR 6 Cb 0.00 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 37.93 3dby h TYR 6 CO 0.00 0.59 -0.12 1.49 -1.64 0.00 0.00 178.16 178.48 3dby h GLU 7 N 1.04 0.80 0.00 1.82 4.57 -1.99 -1.82 114.58 119.00 3dby h GLU 7 Ca 0.32 -0.32 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3dby h GLU 7 Cb -0.03 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 3dby h GLU 7 CO -0.10 0.94 -0.00 0.93 -1.18 0.00 0.00 179.01 179.60 3dby h GLU 8 N 0.61 -0.00 0.55 1.92 5.08 -1.92 -1.88 114.58 118.94 3dby h GLU 8 Ca 0.10 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3dby h GLU 8 Cb 0.66 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 3dby h GLU 8 CO 0.04 0.33 -0.37 1.03 -1.00 0.00 0.00 179.01 179.04 3dby h SER 9 N -0.33 -0.96 -0.29 1.42 0.87 -1.31 -1.36 113.55 111.59 3dby h SER 9 Ca -0.00 0.06 0.07 0.00 -1.23 0.00 0.00 61.79 60.69 3dby h SER 9 Cb 0.33 0.29 -0.07 0.00 -0.44 0.00 0.00 62.40 62.51 3dby h SER 9 CO 0.00 -0.57 -0.22 0.00 -0.53 0.00 0.00 176.83 175.51 3dby h ALA 10 N -0.55 -0.05 -0.13 6.23 0.00 -1.38 0.15 119.26 123.54 3dby h ALA 10 Ca -0.06 0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3dby h ALA 10 Cb 0.74 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 3dby h ALA 10 CO 0.04 -0.63 -0.18 -0.07 0.00 0.00 0.00 179.25 178.41 3dby h LEU 11 N -0.20 -0.57 0.17 0.00 4.07 -1.24 0.70 115.31 118.24 3dby h LEU 11 Ca 0.15 0.10 0.01 0.00 0.08 0.00 0.00 57.88 58.22 3dby h LEU 11 Cb 0.44 0.26 -0.02 0.00 1.08 0.00 0.00 40.66 42.42 3dby h LEU 11 CO -0.41 -0.23 -0.21 0.15 -1.08 0.00 0.00 178.44 176.66 3dby h PHE 12 N -0.23 -0.55 -0.03 1.13 3.57 -0.78 0.30 116.94 120.34 3dby h PHE 12 Ca 0.10 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.62 3dby h PHE 12 Cb 0.37 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 3dby h PHE 12 CO -0.29 -0.31 -0.06 0.93 -2.23 0.00 0.00 178.31 176.35 3dby h GLU 13 N -0.43 -0.09 -0.94 1.11 4.39 -0.47 -1.77 114.58 116.38 3dby h GLU 13 Ca 0.01 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 3dby h GLU 13 Cb 0.42 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.04 3dby h GLU 13 CO -0.07 -0.06 0.58 0.45 -1.16 0.00 0.00 179.01 178.75 3dby h HIS 14 N -0.09 1.21 -0.21 4.33 3.86 -0.81 -0.86 115.15 122.59 3dby h HIS 14 Ca 0.04 0.01 -0.18 0.00 -1.16 0.00 0.00 60.37 59.07 3dby h HIS 14 Cb 0.14 -0.40 -0.00 0.00 1.06 0.00 0.00 27.41 28.20 3dby h HIS 14 CO -0.15 0.79 -0.59 1.96 0.86 0.00 0.00 177.93 180.81 3dby h GLN 15 N 1.28 0.70 0.57 2.45 4.20 -0.53 -1.76 115.11 122.02 3dby h GLN 15 Ca 0.34 -0.47 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 3dby h GLN 15 Cb -0.08 0.06 0.01 0.00 0.30 0.00 0.00 27.48 27.77 3dby h GLN 15 CO -0.07 1.09 -0.27 0.35 -0.67 0.00 0.00 178.83 179.26 3dby h PHE 16 N 0.52 -0.71 -0.20 2.96 3.57 -1.06 -3.15 116.94 118.89 3dby h PHE 16 Ca -0.00 -0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.29 3dby h PHE 16 Cb 1.17 0.23 0.00 0.00 2.79 0.00 0.00 35.95 40.15 3dby h PHE 16 CO 0.06 -0.39 -0.65 -1.49 -2.23 0.00 0.00 178.31 173.61 3dby h TRP 17 N -0.90 0.94 -0.07 0.41 -0.00 -1.18 -1.07 115.95 114.09 3dby h TRP 17 Ca -0.08 -0.37 -0.11 0.00 -0.00 0.00 0.00 58.89 58.33 3dby h TRP 17 Cb 0.63 -0.16 -0.01 0.00 -0.00 0.00 0.00 29.16 29.62 3dby h TRP 17 CO -0.01 1.18 -0.44 -0.07 -0.00 0.00 0.00 178.44 179.09 3dby h LEU 18 N 0.53 0.17 -0.03 -4.49 3.38 -1.47 0.14 115.31 113.55 3dby h LEU 18 Ca -0.02 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3dby h LEU 18 Cb 1.25 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 3dby h LEU 18 CO 0.13 0.59 -0.01 0.50 0.09 0.00 0.00 178.44 179.74 3dby h LYS 19 N 0.13 0.06 -0.56 1.13 1.63 -1.47 -0.67 116.57 116.82 3dby h LYS 19 Ca 0.01 -0.03 0.11 0.00 -0.85 0.00 0.00 60.65 59.89 3dby h LYS 19 Cb 0.84 -0.00 -0.11 0.00 -0.60 0.00 0.00 32.23 32.36 3dby h LYS 19 CO 0.06 0.47 -0.15 0.28 -3.45 0.00 0.00 179.45 176.67 3dby h VAL 20 N -0.35 0.43 -0.02 2.00 2.07 -1.03 0.08 116.25 119.41 3dby h VAL 20 Ca 0.01 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.40 3dby h VAL 20 Cb 0.45 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3dby h VAL 20 CO 0.00 0.00 -0.59 -0.07 0.02 0.00 0.00 177.57 176.94 3dby h LEU 21 N -0.01 0.09 -0.59 2.57 3.38 -0.68 -1.10 115.31 118.96 3dby h LEU 21 Ca 0.27 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 3dby h LEU 21 Cb 0.42 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 3dby h LEU 21 CO -0.58 0.66 0.24 0.74 0.09 0.00 0.00 178.44 179.58 3dby h THR 22 N 0.06 1.23 -0.03 0.22 2.02 -0.44 -2.50 112.91 113.47 3dby h THR 22 Ca -0.01 -0.71 0.03 0.00 0.77 0.00 0.00 66.41 66.49 3dby h THR 22 Cb 1.05 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 68.01 3dby h THR 22 CO 0.08 0.28 -0.17 0.44 0.37 0.00 0.00 175.52 176.52 3dby h ASP 23 N 0.82 -0.50 -0.42 4.18 3.45 -0.52 -1.73 116.42 121.70 3dby h ASP 23 Ca 0.20 0.08 0.07 0.00 0.43 0.00 0.00 57.03 57.81 3dby h ASP 23 Cb 0.20 0.22 -0.06 0.00 -0.56 0.00 0.00 39.33 39.13 3dby h ASP 23 CO -0.02 -0.23 0.04 0.45 -1.57 0.00 0.00 179.24 177.92 3dby h HIS 24 N -0.26 0.06 -0.60 4.55 3.86 -1.14 0.30 115.15 121.91 3dby h HIS 24 Ca 0.06 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.33 3dby h HIS 24 Cb 0.35 0.04 -0.04 0.00 1.06 0.00 0.00 27.41 28.82 3dby h HIS 24 CO -0.24 -0.04 0.36 0.00 0.86 0.00 0.00 177.93 178.88 3dby h ALA 25 N 1.35 0.79 -0.38 2.45 0.00 -1.36 0.05 119.26 122.16 3dby h ALA 25 Ca 0.21 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 3dby h ALA 25 Cb 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3dby h ALA 25 CO -0.31 0.08 -0.31 0.37 0.00 0.00 0.00 179.25 179.08 3dby h GLN 26 N 0.70 0.88 -0.22 0.00 5.75 -0.54 -0.55 115.11 121.12 3dby h GLN 26 Ca 0.25 -0.44 0.03 0.00 -0.15 0.00 0.00 58.65 58.34 3dby h GLN 26 Cb 0.05 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.58 3dby h GLN 26 CO -0.12 1.09 0.05 0.74 -2.65 0.00 0.00 178.83 177.94 3dby h PHE 27 N 0.68 0.09 0.57 3.99 0.04 0.00 -1.41 116.94 120.90 3dby h PHE 27 Ca 0.07 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 3dby h PHE 27 Cb 0.90 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 39.04 3dby h PHE 27 CO 0.06 0.03 -0.35 -0.07 -0.60 0.00 0.00 178.31 177.39 3dby h LEU 28 N 0.14 -0.87 -0.81 1.54 3.38 -0.93 -0.72 115.31 117.05 3dby h LEU 28 Ca 0.10 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.22 3dby h LEU 28 Cb 0.09 0.25 -0.11 0.00 0.09 0.00 0.00 40.66 40.98 3dby h LEU 28 CO -0.13 -0.55 -0.39 -0.11 0.09 0.00 0.00 178.44 177.36 3dby n LEU 29 N -5.48 -0.68 0.25 1.67 7.94 -0.22 -0.99 117.00 119.49 3dby n LEU 29 Ca -0.12 1.42 0.14 0.00 -1.11 0.00 0.00 56.01 56.34 3dby n LEU 29 Cb 0.38 -0.26 0.45 0.00 0.53 0.00 0.00 43.42 44.52 3dby n LEU 29 CO 0.35 -1.22 0.89 0.44 -1.11 0.00 0.00 177.39 176.74 3dby h ASP 30 N 0.00 0.00 0.91 1.96 3.45 -0.87 -3.17 116.42 118.69 3dby h ASP 30 Ca 0.21 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.67 3dby h ASP 30 Cb 0.41 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.18 3dby h ASP 30 CO -0.78 0.03 -0.57 0.00 -1.57 0.00 0.00 179.24 176.35 3dby n ALA 31 N -2.11 2.88 -1.77 3.45 0.00 -0.16 -4.91 120.51 117.90 3dby n ALA 31 Ca 0.02 -0.23 -0.39 0.00 0.00 0.00 0.00 53.44 52.84 3dby n ALA 31 Cb 0.41 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 3dby n ALA 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dby s LEU 32 N -4.22 4.33 0.62 0.00 1.43 -0.76 -0.53 118.68 119.55 3dby s LEU 32 Ca 0.07 2.24 -0.18 0.00 -1.03 0.00 0.00 54.13 55.23 3dby s LEU 32 Cb 0.13 -3.89 -0.02 0.00 0.03 0.00 0.00 46.19 42.44 3dby s LEU 32 CO 0.71 -0.40 1.22 0.00 0.23 0.00 0.00 176.35 178.11 3dby s ALA 33 N -1.37 2.45 0.41 4.21 0.00 -0.58 -4.90 121.76 121.97 3dby s ALA 33 Ca 0.52 1.02 0.16 0.00 0.00 0.00 0.00 51.96 53.66 3dby s ALA 33 Cb -0.29 -3.47 1.05 0.00 0.00 0.00 0.00 23.12 20.41 3dby s ALA 33 CO 0.37 -1.35 1.85 -1.35 0.00 0.00 0.00 175.76 175.28 3dby h PRO 34 N 0.63 0.43 0.00 0.00 0.11 -1.94 -1.41 132.00 129.82 3dby h PRO 34 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3dby h PRO 34 Cb 1.30 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3dby h PRO 34 CO 0.54 0.28 0.00 1.57 -0.21 0.00 0.00 178.00 180.18 3dby h LYS 35 N 0.44 0.00 -3.13 1.05 2.10 -1.96 -3.36 116.57 111.72 3dby h LYS 35 Ca 0.48 0.00 -0.72 0.00 -2.00 0.00 0.00 60.65 58.41 3dby h LYS 35 Cb 1.14 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.39 3dby h LYS 35 CO -0.19 0.00 2.83 0.39 -2.00 0.00 0.00 179.45 180.48 3dby n GLU 36 N -2.47 3.87 -0.10 0.07 -0.58 -0.53 -4.77 120.64 116.13 3dby n GLU 36 Ca -0.01 -3.01 -0.06 0.00 -0.42 0.00 0.00 57.16 53.66 3dby n GLU 36 Cb 0.09 -2.84 0.02 0.00 -0.57 0.00 0.00 31.44 28.13 3dby n GLU 36 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3dby h LYS 37 N 5.18 0.16 -0.06 3.49 1.79 -1.86 -1.70 116.57 123.57 3dby h LYS 37 Ca 0.66 -0.01 -0.13 0.00 -2.18 0.00 0.00 60.65 58.98 3dby h LYS 37 Cb 0.42 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 3dby h LYS 37 CO 1.66 0.11 -0.57 0.93 -1.08 0.00 0.00 179.45 180.50 3dby h GLU 38 N 0.16 0.20 0.00 3.15 4.39 -1.95 -1.91 114.58 118.62 3dby h GLU 38 Ca 0.17 -0.13 -0.14 0.00 0.34 0.00 0.00 59.36 59.60 3dby h GLU 38 Cb 0.20 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 3dby h GLU 38 CO -0.24 0.71 -0.67 -0.44 -1.16 0.00 0.00 179.01 177.22 3dby h ASP 39 N 0.15 0.00 0.22 1.42 3.32 -1.86 -2.88 116.42 116.79 3dby h ASP 39 Ca -0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.87 3dby h ASP 39 Cb 1.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 3dby h ASP 39 CO 0.09 0.67 -0.68 0.40 -1.72 0.00 0.00 179.24 177.99 3dby h ILE 40 N 0.00 1.37 0.06 0.35 2.04 -1.05 -1.19 117.51 119.09 3dby h ILE 40 Ca -0.01 -2.05 0.01 0.00 1.00 0.00 0.00 64.86 63.82 3dby h ILE 40 Cb 1.47 2.03 -0.02 0.00 -0.74 0.00 0.00 36.82 39.56 3dby h ILE 40 CO 0.09 0.62 -0.11 0.11 0.00 0.00 0.00 178.15 178.85 3dby h LYS 41 N 0.30 -0.22 -0.51 2.37 6.56 -1.35 -1.31 116.57 122.41 3dby h LYS 41 Ca -0.02 0.01 0.01 0.00 -1.06 0.00 0.00 60.65 59.59 3dby h LYS 41 Cb 1.24 0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 32.92 3dby h LYS 41 CO 0.12 -0.14 0.33 0.87 -2.06 0.00 0.00 179.45 178.56 3dby h LYS 42 N -0.22 0.64 -0.13 3.15 1.57 -1.38 -0.70 116.57 119.50 3dby h LYS 42 Ca 0.02 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 3dby h LYS 42 Cb 0.24 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3dby h LYS 42 CO -0.07 0.43 -0.43 0.00 -0.57 0.00 0.00 179.45 178.81 3dby h ALA 43 N 1.20 1.04 -0.35 3.86 0.00 -1.15 -1.44 119.26 122.41 3dby h ALA 43 Ca 0.19 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 3dby h ALA 43 Cb -0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3dby h ALA 43 CO -0.05 0.61 0.04 1.15 0.00 0.00 0.00 179.25 181.00 3dby h THR 44 N 0.25 1.24 -0.71 0.00 2.02 -0.94 -1.26 112.91 113.51 3dby h THR 44 Ca 0.02 -0.87 0.11 0.00 0.77 0.00 0.00 66.41 66.44 3dby h THR 44 Cb 0.86 1.13 -0.05 0.00 -1.74 0.00 0.00 68.15 68.35 3dby h THR 44 CO 0.07 0.29 0.47 0.22 0.37 0.00 0.00 175.52 176.94 3dby h TYR 45 N 0.42 0.56 0.15 3.16 3.20 -0.65 -2.04 116.97 121.77 3dby h TYR 45 Ca 0.11 0.02 -0.30 0.00 3.14 0.00 0.00 58.73 61.70 3dby h TYR 45 Cb 0.38 -0.18 0.01 0.00 1.54 0.00 0.00 36.73 38.48 3dby h TYR 45 CO 0.03 0.25 -1.36 0.74 -1.64 0.00 0.00 178.16 176.17 3dby h PHE 46 N 0.51 0.59 -0.04 -3.82 0.04 -0.77 -0.33 116.94 113.12 3dby h PHE 46 Ca 0.34 -0.43 0.02 0.00 2.80 0.00 0.00 57.97 60.70 3dby h PHE 46 Cb 0.61 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.71 3dby h PHE 46 CO -0.00 1.37 -0.10 0.28 -0.60 0.00 0.00 178.31 179.26 3dby h VAL 47 N 0.09 0.73 0.12 -0.55 2.07 -0.90 -0.24 116.25 117.57 3dby h VAL 47 Ca -0.19 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3dby h VAL 47 Cb 2.03 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 3dby h VAL 47 CO 0.21 0.00 -0.09 -0.33 0.02 0.00 0.00 177.57 177.37 3dby h GLU 48 N -0.16 -0.22 0.01 1.57 3.07 -1.41 -0.99 114.58 116.46 3dby h GLU 48 Ca 0.05 0.01 0.03 0.00 -0.50 0.00 0.00 59.36 58.96 3dby h GLU 48 Cb 0.23 0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.13 3dby h GLU 48 CO -0.13 -0.14 -0.38 1.15 -1.40 0.00 0.00 179.01 178.11 3dby h THR 49 N -0.22 0.21 0.00 1.13 2.02 -0.82 -1.66 112.91 113.57 3dby h THR 49 Ca -0.00 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.06 3dby h THR 49 Cb 0.20 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 3dby h THR 49 CO -0.01 0.00 -0.55 -0.26 0.37 0.00 0.00 175.52 175.07 3dby h PHE 50 N -0.54 0.00 -0.25 3.16 0.04 -1.05 -1.23 116.94 117.07 3dby h PHE 50 Ca 0.05 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 3dby h PHE 50 Cb 0.62 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.76 3dby h PHE 50 CO -0.38 0.55 0.11 1.15 -0.60 0.00 0.00 178.31 179.13 3dby h THR 51 N 0.00 1.16 -0.37 -1.55 2.02 -0.98 -2.02 112.91 111.17 3dby h THR 51 Ca -0.01 -0.48 -0.07 0.00 0.77 0.00 0.00 66.41 66.62 3dby h THR 51 Cb 1.03 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 3dby h THR 51 CO 0.07 0.16 -0.04 0.78 0.37 0.00 0.00 175.52 176.87 3dby h ASN 52 N 0.26 0.67 -0.82 4.18 2.35 -1.19 -1.82 115.58 119.21 3dby h ASN 52 Ca 0.08 -0.33 0.20 0.00 -0.55 0.00 0.00 56.30 55.70 3dby h ASN 52 Cb 0.16 -0.18 -0.13 0.00 0.05 0.00 0.00 38.32 38.21 3dby h ASN 52 CO -0.01 0.84 0.17 -0.07 -1.65 0.00 0.00 177.43 176.72 3dby h LEU 53 N 0.48 -0.08 -0.22 1.61 3.38 -1.22 -2.97 115.31 116.28 3dby h LEU 53 Ca 0.10 0.19 -0.21 0.00 0.09 0.00 0.00 57.88 58.05 3dby h LEU 53 Cb 0.52 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3dby h LEU 53 CO 0.03 -0.13 -0.92 0.25 0.09 0.00 0.00 178.44 177.75 3dby h LEU 54 N 0.20 0.31 -1.54 1.67 5.85 -0.98 -2.98 115.31 117.84 3dby h LEU 54 Ca 0.49 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 3dby h LEU 54 Cb 0.93 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 3dby h LEU 54 CO -0.63 1.08 0.08 0.78 -0.34 0.00 0.00 178.44 179.41 3dby h ASN 55 N 0.13 0.34 -0.26 1.25 2.35 -1.19 -3.12 115.58 115.07 3dby h ASN 55 Ca -0.06 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 3dby h ASN 55 Cb 1.56 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.84 3dby h ASN 55 CO 0.14 0.34 0.00 2.29 -1.65 0.00 0.00 177.43 178.55 3dby n LYS 56 N -4.40 2.07 0.24 0.81 2.85 -1.16 -4.52 118.16 114.05 3dby n LYS 56 Ca 0.01 -1.83 0.17 0.00 -1.05 0.00 0.00 58.31 55.62 3dby n LYS 56 Cb 0.15 -1.30 0.88 0.00 -0.65 0.00 0.00 35.03 34.11 3dby n LYS 56 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 177.40 177.11 3dby h VAL 57 N 2.51 0.39 0.00 0.58 3.04 -1.46 -1.76 116.25 119.56 3dby h VAL 57 Ca 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.65 3dby h VAL 57 Cb 0.69 0.86 -0.01 0.00 -2.01 0.00 0.00 31.29 30.83 3dby h VAL 57 CO 0.00 0.00 -0.90 -0.09 -1.01 0.00 0.00 177.57 175.57 3dby h ARG 58 N 0.00 0.00 -0.61 4.17 9.65 -1.82 -3.36 114.38 122.40 3dby h ARG 58 Ca 0.06 0.00 -0.42 0.00 -1.10 0.00 0.00 59.98 58.52 3dby h ARG 58 Cb 0.39 0.00 -0.27 0.00 -1.39 0.00 0.00 29.97 28.70 3dby h ARG 58 CO -0.00 0.08 -0.27 0.09 2.80 0.00 0.00 179.97 182.66 3dby n ASN 59 N -2.81 4.39 -4.09 -3.80 3.02 -0.66 -5.03 115.26 106.28 3dby n ASN 59 Ca -0.01 -3.79 -0.08 0.00 -0.03 0.00 0.00 54.58 50.68 3dby n ASN 59 Cb 0.61 -0.56 -0.10 0.00 -0.61 0.00 0.00 39.78 39.12 3dby n ASN 59 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3dby s VAL 60 N -4.12 0.27 -0.12 2.41 -7.23 -1.23 -5.09 120.40 105.28 3dby s VAL 60 Ca 0.50 -1.73 -0.29 0.00 -1.81 0.00 0.00 61.98 58.66 3dby s VAL 60 Cb 0.42 -1.40 -0.05 0.00 0.56 0.00 0.00 36.38 35.91 3dby s VAL 60 CO 0.01 -0.93 1.71 0.21 -0.31 0.00 0.00 175.10 175.79 3dby s ASN 61 N -2.77 6.44 0.43 4.85 2.47 -1.26 -4.92 114.94 120.17 3dby s ASN 61 Ca 0.05 2.01 0.21 0.00 0.42 0.00 0.00 52.86 55.55 3dby s ASN 61 Cb 0.06 -2.53 0.94 0.00 -1.45 0.00 0.00 41.25 38.27 3dby s ASN 61 CO -0.08 -1.15 1.85 -0.07 -3.72 0.00 0.00 177.10 173.93 3dby h LEU 62 N 11.23 0.00 0.16 3.21 3.38 -1.98 -0.30 115.31 131.01 3dby h LEU 62 Ca -0.38 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.28 3dby h LEU 62 Cb 1.18 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.94 3dby h LEU 62 CO 0.97 0.27 -1.48 0.24 0.09 0.00 0.00 178.44 178.53 3dby h MET 63 N 0.00 0.34 -0.33 1.13 2.86 -1.91 -2.54 114.93 114.47 3dby h MET 63 Ca -0.00 -0.58 -0.08 0.00 -2.06 0.00 0.00 59.70 56.98 3dby h MET 63 Cb 0.69 0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 3dby h MET 63 CO 0.04 1.24 -0.10 0.00 1.06 0.00 0.00 176.91 179.15 3dby h ALA 64 N 0.38 0.45 -0.78 6.32 0.00 -1.89 -2.95 119.26 120.81 3dby h ALA 64 Ca -0.23 -0.31 0.08 0.00 0.00 0.00 0.00 54.91 54.44 3dby h ALA 64 Cb 2.05 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.66 3dby h ALA 64 CO 0.20 0.31 0.45 0.35 0.00 0.00 0.00 179.25 180.56 3dby h PHE 65 N 0.42 0.82 -0.30 0.00 3.57 -1.15 -2.54 116.94 117.76 3dby h PHE 65 Ca 0.08 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.70 3dby h PHE 65 Cb 0.61 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 3dby h PHE 65 CO 0.05 0.37 0.23 0.77 -2.23 0.00 0.00 178.31 177.50 3dby h SER 66 N 0.79 0.00 0.72 0.41 0.02 -1.28 0.41 113.55 114.62 3dby h SER 66 Ca 0.36 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.14 3dby h SER 66 Cb 0.26 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 3dby h SER 66 CO -0.21 0.00 -0.79 0.11 -1.14 0.00 0.00 176.83 174.80 3dby h LYS 67 N 0.00 0.05 0.09 3.45 1.57 -1.41 -1.92 116.57 118.39 3dby h LYS 67 Ca 0.14 -0.05 -0.22 0.00 -1.87 0.00 0.00 60.65 58.65 3dby h LYS 67 Cb 0.61 0.01 0.02 0.00 0.08 0.00 0.00 32.23 32.95 3dby h LYS 67 CO -0.00 0.81 -0.92 1.49 -0.57 0.00 0.00 179.45 180.26 3dby h GLU 68 N 0.03 0.47 -0.25 3.15 4.81 -0.94 -2.50 114.58 119.35 3dby h GLU 68 Ca -0.02 -0.62 0.05 0.00 -0.13 0.00 0.00 59.36 58.64 3dby h GLU 68 Cb 1.39 0.20 -0.04 0.00 0.63 0.00 0.00 28.75 30.93 3dby h GLU 68 CO 0.11 1.26 -0.04 0.00 -0.73 0.00 0.00 179.01 179.60 3dby h ALA 69 N 0.24 0.19 -0.25 2.92 0.00 -1.19 -2.58 119.26 118.60 3dby h ALA 69 Ca -0.14 0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.91 3dby h ALA 69 Cb 1.65 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 19.55 3dby h ALA 69 CO 0.18 -0.45 -0.10 1.49 0.00 0.00 0.00 179.25 180.37 3dby h GLU 70 N 0.03 -0.05 -0.13 0.00 4.81 -1.34 0.37 114.58 118.27 3dby h GLU 70 Ca 0.12 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.39 3dby h GLU 70 Cb 0.17 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 3dby h GLU 70 CO -0.23 -0.04 -0.13 0.37 -0.73 0.00 0.00 179.01 178.25 3dby h GLN 71 N -0.06 -0.15 -0.88 1.92 5.75 -1.35 -0.65 115.11 119.69 3dby h GLN 71 Ca 0.13 0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.68 3dby h GLN 71 Cb 0.25 0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.78 3dby h GLN 71 CO -0.29 -0.10 0.58 0.00 -2.65 0.00 0.00 178.83 176.37 3dby h ALA 72 N 0.92 1.48 -0.49 3.38 0.00 -0.97 -1.89 119.26 121.68 3dby h ALA 72 Ca 0.09 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 3dby h ALA 72 Cb 0.28 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3dby h ALA 72 CO -0.22 0.43 -0.17 0.00 0.00 0.00 0.00 179.25 179.28 3dby h ALA 73 N 1.50 0.75 -0.04 0.00 0.00 0.23 -1.08 119.26 120.62 3dby h ALA 73 Ca 0.36 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3dby h ALA 73 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3dby h ALA 73 CO -0.11 0.67 -0.31 0.87 0.00 0.00 0.00 179.25 180.36 3dby h LYS 74 N 0.85 0.07 -0.04 0.00 1.57 -0.81 -1.24 116.57 116.97 3dby h LYS 74 Ca 0.12 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.71 3dby h LYS 74 Cb 0.74 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.05 3dby h LYS 74 CO 0.06 0.37 -0.64 0.93 -0.57 0.00 0.00 179.45 179.60 3dby h GLU 75 N 0.06 0.51 -0.02 3.15 5.08 -0.90 -2.18 114.58 120.27 3dby h GLU 75 Ca 0.01 -0.49 -0.08 0.00 -1.00 0.00 0.00 59.36 57.79 3dby h GLU 75 Cb 0.58 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3dby h GLU 75 CO 0.04 1.13 -0.37 0.97 -1.00 0.00 0.00 179.01 179.78 3dby h ILE 76 N 0.07 1.27 -0.37 3.13 2.10 -1.00 -1.48 117.51 121.23 3dby h ILE 76 Ca -0.07 -1.31 0.02 0.00 1.08 0.00 0.00 64.86 64.58 3dby h ILE 76 Cb 1.32 1.67 -0.03 0.00 -1.09 0.00 0.00 36.82 38.70 3dby h ILE 76 CO 0.13 0.38 0.20 -0.09 -1.08 0.00 0.00 178.15 177.68 3dby h ARG 77 N 0.04 0.39 -0.61 2.19 2.43 -1.21 -0.64 114.38 116.98 3dby h ARG 77 Ca 0.00 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 3dby h ARG 77 Cb 0.68 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 3dby h ARG 77 CO 0.05 0.26 0.18 0.00 -1.51 0.00 0.00 179.97 178.95 3dby h ALA 78 N 1.18 1.17 -0.05 2.80 0.00 -0.63 -1.16 119.26 122.57 3dby h ALA 78 Ca 0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3dby h ALA 78 Cb 0.04 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3dby h ALA 78 CO -0.09 0.57 0.00 0.35 0.00 0.00 0.00 179.25 180.09 3dby h PHE 79 N 0.90 0.10 -0.51 0.00 3.57 -1.03 0.71 116.94 120.68 3dby h PHE 79 Ca 0.20 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.69 3dby h PHE 79 Cb 0.27 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 3dby h PHE 79 CO 0.02 0.36 0.34 0.87 -2.23 0.00 0.00 178.31 177.66 3dby h LYS 80 N -0.19 0.66 -0.18 1.11 1.57 -0.89 0.16 116.57 118.81 3dby h LYS 80 Ca 0.01 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 3dby h LYS 80 Cb 0.32 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3dby h LYS 80 CO 0.00 0.44 -0.33 -0.07 -0.57 0.00 0.00 179.45 178.92 3dby h LEU 81 N 0.68 0.38 -0.84 2.94 3.38 -1.09 -2.01 115.31 118.75 3dby h LEU 81 Ca 0.19 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3dby h LEU 81 Cb -0.07 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3dby h LEU 81 CO -0.05 0.69 0.03 -1.13 0.09 0.00 0.00 178.44 178.08 3dby h ASN 82 N 0.32 0.86 -0.41 -0.43 -1.24 -0.36 -1.73 115.58 112.59 3dby h ASN 82 Ca 0.04 -0.21 -0.00 0.00 0.71 0.00 0.00 56.30 56.84 3dby h ASN 82 Cb 0.74 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.54 3dby h ASN 82 CO 0.06 0.90 0.25 0.40 -1.29 0.00 0.00 177.43 177.75 3dby h ILE 83 N 0.84 1.13 -0.56 2.57 2.04 -0.45 -2.03 117.51 121.05 3dby h ILE 83 Ca 0.16 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 3dby h ILE 83 Cb 0.45 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3dby h ILE 83 CO 0.02 0.13 0.20 0.40 0.00 0.00 0.00 178.15 178.90 3dby h ILE 84 N 0.54 1.23 -0.45 -0.67 2.04 -1.34 0.15 117.51 119.01 3dby h ILE 84 Ca 0.15 -0.75 0.06 0.00 1.00 0.00 0.00 64.86 65.32 3dby h ILE 84 Cb -0.00 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 3dby h ILE 84 CO -0.03 0.28 0.16 -0.61 0.00 0.00 0.00 178.15 177.96 3dby h GLN 85 N 0.77 0.32 -0.01 2.37 4.15 -1.20 -0.32 115.11 121.19 3dby h GLN 85 Ca 0.18 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.49 3dby h GLN 85 Cb 0.24 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 3dby h GLN 85 CO -0.01 0.21 -0.46 0.87 -1.93 0.00 0.00 178.83 177.52 3dby h LYS 86 N 0.33 0.03 -0.43 1.69 1.57 -0.76 -2.51 116.57 116.49 3dby h LYS 86 Ca 0.21 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3dby h LYS 86 Cb 0.21 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3dby h LYS 86 CO -0.22 0.48 0.27 1.96 -0.57 0.00 0.00 179.45 181.37 3dby h GLN 87 N 0.02 0.58 0.00 3.15 4.20 0.07 0.60 115.11 123.73 3dby h GLN 87 Ca -0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3dby h GLN 87 Cb 0.81 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.47 3dby h GLN 87 CO 0.06 0.41 0.00 -0.07 -0.67 0.00 0.00 178.83 178.56 3dby h LEU 88 N 0.57 0.00 -2.87 1.46 3.38 -0.68 -1.66 115.31 115.51 3dby h LEU 88 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3dby h LEU 88 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3dby h LEU 88 CO -0.03 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.88 3dby n GLU 89 N -2.46 2.84 -2.26 1.13 1.02 -0.94 -4.99 120.64 114.99 3dby n GLU 89 Ca 0.01 -2.03 -0.13 0.00 -0.02 0.00 0.00 57.16 54.99 3dby n GLU 89 Cb 0.23 -1.27 -0.01 0.00 -0.02 0.00 0.00 31.44 30.38 3dby n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dby n GLY 90 N 0.51 -0.18 0.88 0.62 0.00 -0.02 -4.94 105.19 102.07 3dby n GLY 90 Ca 0.11 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 45.89 3dby n GLY 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dby n LYS 91 N -2.28 2.97 -3.70 1.61 5.02 0.19 -4.96 118.16 117.01 3dby n LYS 91 Ca -0.16 -2.74 -0.14 0.00 -2.02 0.00 0.00 58.31 53.25 3dby n LYS 91 Cb 0.62 -1.78 -0.08 0.00 -0.02 0.00 0.00 35.03 33.77 3dby n LYS 91 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3dby s ILE 92 N -2.56 0.03 -0.32 -0.18 2.07 -1.25 -4.94 121.20 114.04 3dby s ILE 92 Ca 0.40 -0.22 -0.07 0.00 -1.41 0.00 0.00 60.65 59.34 3dby s ILE 92 Cb 0.31 -0.70 0.02 0.00 0.13 0.00 0.00 42.46 42.23 3dby s ILE 92 CO 0.10 -0.12 0.11 -0.89 -1.91 0.00 0.00 174.94 172.23 3dby s THR 93 N -0.77 4.01 -0.04 4.00 2.01 -1.26 -4.83 115.64 118.76 3dby s THR 93 Ca -0.09 -0.87 -0.07 0.00 0.31 0.00 0.00 61.69 60.98 3dby s THR 93 Cb -0.04 -3.17 0.01 0.00 0.01 0.00 0.00 72.50 69.32 3dby s THR 93 CO 0.04 -0.07 0.16 -0.51 -0.69 0.00 0.00 174.62 173.56 3dby s ILE 94 N 1.48 0.03 -0.26 1.82 2.07 -1.26 -1.53 121.20 123.55 3dby s ILE 94 Ca 0.01 -0.25 0.01 0.00 -1.41 0.00 0.00 60.65 59.01 3dby s ILE 94 Cb -0.18 -0.32 0.30 0.00 0.13 0.00 0.00 42.46 42.39 3dby s ILE 94 CO 0.03 -0.14 1.63 1.41 -1.91 0.00 0.00 174.94 175.97 3dby n HIS 95 N 2.41 1.57 -5.09 3.50 8.25 0.31 -4.76 115.22 121.42 3dby n HIS 95 Ca -0.16 -1.44 -0.29 0.00 -0.26 0.00 0.00 57.72 55.57 3dby n HIS 95 Cb 0.58 -0.72 -0.16 0.00 1.12 0.00 0.00 29.99 30.80 3dby n HIS 95 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3dby s PHE 96 N -1.74 2.16 0.66 4.41 2.99 -1.26 -5.02 117.98 120.17 3dby s PHE 96 Ca 0.30 -0.66 -0.16 0.00 0.00 0.00 0.00 56.93 56.41 3dby s PHE 96 Cb 0.25 -1.43 -0.00 0.00 0.00 0.00 0.00 43.02 41.83 3dby s PHE 96 CO 0.04 -0.22 1.13 0.95 -0.00 0.00 0.00 175.22 177.12 3dby s THR 97 N -0.03 3.06 0.34 0.64 -4.23 -1.26 -4.91 115.64 109.25 3dby s THR 97 Ca -0.05 0.52 0.06 0.00 -1.18 0.00 0.00 61.69 61.04 3dby s THR 97 Cb -0.13 -3.06 0.31 0.00 1.34 0.00 0.00 72.50 70.96 3dby s THR 97 CO 0.04 -0.28 1.88 -0.65 -0.54 0.00 0.00 174.62 175.06 3dby h PRO 98 N 0.12 0.76 -0.38 3.99 0.11 -1.98 -1.89 132.00 132.74 3dby h PRO 98 Ca -0.47 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 3dby h PRO 98 Cb 1.26 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3dby h PRO 98 CO 0.54 0.50 -0.14 1.15 -0.21 0.00 0.00 178.00 179.85 3dby h THR 99 N 0.79 1.25 -0.65 -1.15 2.02 -1.98 0.28 112.91 113.47 3dby h THR 99 Ca 0.43 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.45 3dby h THR 99 Cb 0.57 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 3dby h THR 99 CO -0.19 0.39 0.40 0.15 0.37 0.00 0.00 175.52 176.63 3dby h PHE 100 N 0.62 0.86 -0.00 3.16 3.57 -1.72 -1.06 116.94 122.38 3dby h PHE 100 Ca 0.10 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.47 3dby h PHE 100 Cb 0.59 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 3dby h PHE 100 CO 0.03 0.58 -0.65 0.82 -2.23 0.00 0.00 178.31 176.85 3dby h ILE 101 N 0.89 1.47 -0.73 1.41 2.04 -1.35 -2.64 117.51 118.60 3dby h ILE 101 Ca 0.23 -2.24 -0.04 0.00 1.00 0.00 0.00 64.86 63.81 3dby h ILE 101 Cb -0.03 2.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 3dby h ILE 101 CO -0.04 0.64 0.28 -1.13 0.00 0.00 0.00 178.15 177.90 3dby h ASN 102 N 0.00 1.01 -0.44 1.72 -1.24 0.49 -0.94 115.58 116.18 3dby h ASN 102 Ca -0.01 -0.16 -0.05 0.00 0.71 0.00 0.00 56.30 56.80 3dby h ASN 102 Cb 1.16 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.93 3dby h ASN 102 CO 0.09 0.90 0.08 0.45 -1.29 0.00 0.00 177.43 177.66 3dby h HIS 103 N 1.07 0.76 -0.79 0.67 3.86 -1.10 -1.17 115.15 118.46 3dby h HIS 103 Ca 0.24 -0.10 0.15 0.00 -1.16 0.00 0.00 60.37 59.50 3dby h HIS 103 Cb 0.22 -0.21 -0.10 0.00 1.06 0.00 0.00 27.41 28.38 3dby h HIS 103 CO 0.02 0.72 0.34 0.52 0.86 0.00 0.00 177.93 180.38 3dby h MET 104 N 0.58 0.46 -0.56 2.45 2.86 -1.06 0.23 114.93 119.89 3dby h MET 104 Ca 0.13 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3dby h MET 104 Cb 0.36 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 3dby h MET 104 CO 0.01 0.31 0.35 0.28 1.06 0.00 0.00 176.91 178.92 3dby h VAL 105 N 0.48 1.16 -0.23 -2.22 2.07 -0.70 -0.82 116.25 115.99 3dby h VAL 105 Ca 0.44 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.67 3dby h VAL 105 Cb 0.66 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 3dby h VAL 105 CO -0.40 0.16 -0.04 0.78 0.02 0.00 0.00 177.57 178.08 3dby h ASN 106 N 0.76 -0.18 0.32 0.57 2.35 -0.44 -0.92 115.58 118.05 3dby h ASN 106 Ca 0.20 0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 56.02 3dby h ASN 106 Cb -0.04 0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 3dby h ASN 106 CO -0.04 -0.06 -0.51 -0.33 -1.65 0.00 0.00 177.43 174.84 3dby h GLU 107 N 0.02 -0.85 -0.54 0.81 5.08 -0.81 -2.02 114.58 116.27 3dby h GLU 107 Ca 0.11 0.06 0.16 0.00 -1.00 0.00 0.00 59.36 58.68 3dby h GLU 107 Cb 0.16 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3dby h GLU 107 CO -0.22 -0.56 0.42 -0.24 -1.00 0.00 0.00 179.01 177.40 3dby h VAL 108 N -0.88 0.64 0.00 3.13 3.04 -1.04 0.86 116.25 122.00 3dby h VAL 108 Ca -0.04 0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.56 3dby h VAL 108 Cb 0.81 0.70 -0.01 0.00 -2.01 0.00 0.00 31.29 30.78 3dby h VAL 108 CO -0.17 0.00 -0.47 -0.33 -1.01 0.00 0.00 177.57 175.59 3dby h GLU 109 N 0.00 0.00 -0.02 4.17 5.08 -0.76 -1.85 114.58 121.20 3dby h GLU 109 Ca 0.26 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.47 3dby h GLU 109 Cb 1.09 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.35 3dby h GLU 109 CO -0.00 0.47 -0.54 1.49 -1.00 0.00 0.00 179.01 179.42 3dby h GLU 110 N 0.00 0.40 -0.11 2.33 4.57 -0.14 -2.21 114.58 119.42 3dby h GLU 110 Ca -0.00 -0.41 0.04 0.00 -1.18 0.00 0.00 59.36 57.81 3dby h GLU 110 Cb 1.10 0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 29.76 3dby h GLU 110 CO 0.06 1.07 -0.14 -0.92 -1.18 0.00 0.00 179.01 177.90 3dby h TYR 111 N -0.11 -0.36 -0.35 0.92 3.20 -1.28 -2.10 116.97 116.89 3dby h TYR 111 Ca -0.06 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.90 3dby h TYR 111 Cb 1.24 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.68 3dby h TYR 111 CO 0.14 -0.21 0.24 0.82 -1.64 0.00 0.00 178.16 177.52 3dby h ILE 112 N -0.18 0.89 -0.20 1.81 2.04 -1.27 -1.16 117.51 119.44 3dby h ILE 112 Ca 0.09 -0.05 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 3dby h ILE 112 Cb 0.31 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3dby h ILE 112 CO -0.22 0.02 -0.03 0.00 0.00 0.00 0.00 178.15 177.92 3dby h ALA 113 N 1.82 0.27 -0.91 1.87 0.00 -0.73 -2.62 119.26 118.96 3dby h ALA 113 Ca 0.16 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3dby h ALA 113 Cb 0.47 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3dby h ALA 113 CO -0.02 0.03 0.60 -0.39 0.00 0.00 0.00 179.25 179.46 3dby h VAL 114 N 0.10 1.24 -0.33 0.00 -1.51 -1.15 -2.61 116.25 111.99 3dby h VAL 114 Ca 0.05 -0.43 0.06 0.00 -1.23 0.00 0.00 66.70 65.15 3dby h VAL 114 Cb 0.46 -0.10 -0.02 0.00 -2.13 0.00 0.00 31.29 29.51 3dby h VAL 114 CO 0.02 0.23 0.23 -0.07 -1.23 0.00 0.00 177.57 176.74 3dby h LEU 115 N 1.23 0.15 -1.43 4.19 3.38 -1.02 -0.03 115.31 121.78 3dby h LEU 115 Ca 0.33 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.40 3dby h LEU 115 Cb -0.13 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 3dby h LEU 115 CO -0.07 0.10 0.48 -0.08 0.09 0.00 0.00 178.44 178.96 3dby h GLU 116 N 0.18 0.62 0.00 1.13 4.81 -1.09 -2.00 114.58 118.22 3dby h GLU 116 Ca 0.15 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3dby h GLU 116 Cb 0.36 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3dby h GLU 116 CO -0.02 0.41 -0.08 0.74 -0.73 0.00 0.00 179.01 179.33 3dby h PHE 117 N 0.64 0.00 -0.71 0.92 0.04 -1.19 -3.38 116.94 113.26 3dby h PHE 117 Ca 0.34 0.00 0.17 0.00 2.80 0.00 0.00 57.97 61.27 3dby h PHE 117 Cb 0.47 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 38.48 3dby h PHE 117 CO -0.00 0.00 -0.10 1.28 -0.60 0.00 0.00 178.31 178.89 3dby n LEU 118 N -4.19 -0.18 0.00 1.54 4.32 -0.36 0.11 117.00 118.24 3dby n LEU 118 Ca -0.01 1.22 0.06 0.00 -0.02 0.00 0.00 56.01 57.26 3dby n LEU 118 Cb 0.04 -0.40 0.38 0.00 -1.62 0.00 0.00 43.42 41.82 3dby n LEU 118 CO 0.02 -1.20 0.70 2.29 -1.22 0.00 0.00 177.39 177.98 3dby n LYS 119 N -5.08 0.90 0.00 3.23 2.85 -0.76 -2.43 118.16 116.86 3dby n LYS 119 Ca 0.14 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.43 3dby n LYS 119 Cb 0.44 -1.22 0.01 0.00 -0.65 0.00 0.00 35.03 33.61 3dby n LYS 119 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3dby n LYS 120 N -0.72 1.58 -0.00 -1.58 4.81 0.31 -4.92 118.16 117.64 3dby n LYS 120 Ca 0.10 -0.62 0.00 0.00 -0.87 0.00 0.00 58.31 56.92 3dby n LYS 120 Cb 0.04 -1.02 0.00 0.00 0.02 0.00 0.00 35.03 34.07 3dby n LYS 120 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3dby n GLY 121 N 0.63 1.19 3.86 3.14 0.00 -1.02 -5.04 105.19 107.96 3dby n GLY 121 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3dby n GLY 121 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dby s GLU 122 N -0.60 3.85 0.24 1.61 2.02 -1.15 -4.87 118.70 119.79 3dby s GLU 122 Ca 0.00 0.32 -0.30 0.00 0.02 0.00 0.00 54.97 55.01 3dby s GLU 122 Cb 0.00 -2.80 -0.10 0.00 0.10 0.00 0.00 34.13 31.34 3dby s GLU 122 CO 0.00 0.41 1.39 0.08 0.02 0.00 0.00 175.26 177.16 3dby s VAL 123 N -1.64 2.84 0.28 2.63 1.01 -1.26 -3.24 120.40 121.02 3dby s VAL 123 Ca 0.42 0.70 -0.30 0.00 0.00 0.00 0.00 61.98 62.80 3dby s VAL 123 Cb -0.13 -3.45 -0.10 0.00 0.00 0.00 0.00 36.38 32.70 3dby s VAL 123 CO 0.20 0.11 1.44 -2.84 0.00 0.00 0.00 175.10 174.02 3dby s PRO 124 N -0.33 4.25 0.64 2.72 0.02 -1.26 -4.92 135.00 136.11 3dby s PRO 124 Ca 0.58 2.35 -0.13 0.00 0.02 0.00 0.00 61.00 63.81 3dby s PRO 124 Cb -0.40 -3.08 -0.02 0.00 0.02 0.00 0.00 34.50 31.02 3dby s PRO 124 CO 0.42 -0.42 1.05 -1.25 -0.33 0.00 0.00 177.00 176.47 3dby s PRO 125 N -0.74 3.21 -0.28 5.54 0.04 -1.26 -4.98 135.00 136.52 3dby s PRO 125 Ca 0.58 1.04 -0.29 0.00 0.04 0.00 0.00 61.00 62.37 3dby s PRO 125 Cb -0.43 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.10 3dby s PRO 125 CO 0.47 -0.89 1.08 0.08 0.04 0.00 0.00 177.00 177.78 3dby s VAL 126 N -2.79 4.55 0.65 -0.36 1.01 -1.26 -5.02 120.40 117.18 3dby s VAL 126 Ca 0.60 1.82 -0.11 0.00 0.00 0.00 0.00 61.98 64.29 3dby s VAL 126 Cb -0.14 -4.36 -0.02 0.00 0.00 0.00 0.00 36.38 31.86 3dby s VAL 126 CO 0.46 -0.37 1.04 -0.36 0.00 0.00 0.00 175.10 175.87 3dby s PHE 127 N 3.52 3.39 0.38 5.22 0.08 -1.26 -5.00 117.98 124.32 3dby s PHE 127 Ca 0.46 1.35 -0.26 0.00 0.12 0.00 0.00 56.93 58.60 3dby s PHE 127 Cb -0.14 -2.80 -0.11 0.00 -0.57 0.00 0.00 43.02 39.41 3dby s PHE 127 CO 0.12 -0.93 1.08 1.58 -0.10 0.00 0.00 175.22 176.97 3dby n HIS 128 N -2.88 1.45 0.00 0.36 -0.00 -1.26 -4.68 115.22 108.21 3dby n HIS 128 Ca 0.07 0.58 0.05 0.00 -0.00 0.00 0.00 57.72 58.41 3dby n HIS 128 Cb 0.54 -2.28 0.44 0.00 -0.00 0.00 0.00 29.99 28.69 3dby n HIS 128 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 3dby h GLU 129 N 1.83 0.50 0.00 1.57 4.11 -1.93 -1.60 114.58 119.07 3dby h GLU 129 Ca -0.44 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 58.92 3dby h GLU 129 Cb 1.33 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 3dby h GLU 129 CO 0.59 0.33 -0.17 -0.07 0.07 0.00 0.00 179.01 179.76 3dby h LEU 130 N 0.52 0.00 -0.39 3.06 3.38 -1.98 -0.97 115.31 118.92 3dby h LEU 130 Ca 0.16 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.21 3dby h LEU 130 Cb 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.68 3dby h LEU 130 CO -0.04 0.17 -0.10 -0.74 0.09 0.00 0.00 178.44 177.82 3dby h HIS 131 N 0.00 -0.22 -0.36 1.13 2.76 -1.64 0.74 115.15 117.56 3dby h HIS 131 Ca -0.00 0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.12 3dby h HIS 131 Cb 0.30 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 3dby h HIS 131 CO 0.00 -0.17 -0.10 1.88 -1.30 0.00 0.00 177.93 178.23 3dby h TYR 132 N -0.01 0.79 -0.40 5.26 0.05 -1.28 -2.66 116.97 118.72 3dby h TYR 132 Ca 0.19 -0.18 0.08 0.00 0.05 0.00 0.00 58.73 58.87 3dby h TYR 132 Cb 0.29 -0.19 -0.07 0.00 1.01 0.00 0.00 36.73 37.77 3dby h TYR 132 CO -0.36 0.86 -0.07 0.45 -1.05 0.00 0.00 178.16 178.00 3dby h HIS 133 N 0.49 -0.15 0.00 4.88 3.86 -1.11 -0.07 115.15 123.05 3dby h HIS 133 Ca 0.09 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.29 3dby h HIS 133 Cb 0.62 0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.21 3dby h HIS 133 CO 0.05 -0.15 -0.19 -0.07 0.86 0.00 0.00 177.93 178.43 3dby h LEU 134 N 0.03 0.00 0.17 2.43 3.38 -0.69 -2.25 115.31 118.38 3dby h LEU 134 Ca 0.20 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.82 3dby h LEU 134 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3dby h LEU 134 CO -0.39 0.19 -1.77 0.58 0.09 0.00 0.00 178.44 177.14 3dby h VAL 135 N 0.00 0.90 0.00 1.22 2.07 -1.11 -3.42 116.25 115.91 3dby h VAL 135 Ca -0.00 -2.52 0.00 0.00 0.82 0.00 0.00 66.70 65.00 3dby h VAL 135 Cb 0.45 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 3dby h VAL 135 CO 0.03 0.86 -0.88 0.79 0.02 0.00 0.00 177.57 178.38 3dby n TRP 136 N -3.55 0.00 -0.02 1.57 7.02 -0.08 -3.86 117.44 118.52 3dby n TRP 136 Ca -0.25 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.07 3dby n TRP 136 Cb 1.07 -0.04 -0.10 0.00 -2.42 0.00 0.00 31.31 29.82 3dby n TRP 136 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 3dby h LEU 137 N 0.00 0.44 -0.76 -0.99 3.38 -1.60 -0.64 115.31 115.14 3dby h LEU 137 Ca 0.00 -0.70 0.03 0.00 0.09 0.00 0.00 57.88 57.31 3dby h LEU 137 Cb 0.43 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 3dby h LEU 137 CO 0.00 1.07 0.48 0.71 0.09 0.00 0.00 178.44 180.79 3dby h THR 138 N -0.15 1.11 -0.18 0.22 1.35 -1.81 -1.01 112.91 112.45 3dby h THR 138 Ca -0.04 -0.32 0.03 0.00 -0.55 0.00 0.00 66.41 65.53 3dby h THR 138 Cb 1.10 0.09 -0.03 0.00 -1.73 0.00 0.00 68.15 67.58 3dby h THR 138 CO 0.08 0.17 -0.02 -0.78 -0.25 0.00 0.00 175.52 174.72 3dby h ASP 139 N 0.93 -0.12 -0.50 5.36 1.82 -1.65 0.13 116.42 122.38 3dby h ASP 139 Ca 0.30 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.99 3dby h ASP 139 Cb 0.02 0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.10 3dby h ASP 139 CO -0.11 -0.04 0.32 0.00 -1.61 0.00 0.00 179.24 177.80 3dby h ALA 140 N 1.16 0.64 -0.88 -0.78 0.00 -0.73 0.61 119.26 119.28 3dby h ALA 140 Ca 0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3dby h ALA 140 Cb 0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3dby h ALA 140 CO -0.16 0.10 0.47 0.00 0.00 0.00 0.00 179.25 179.66 3dby h ALA 141 N 1.17 1.18 -0.75 0.00 0.00 -0.94 -0.92 119.26 118.99 3dby h ALA 141 Ca 0.18 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3dby h ALA 141 Cb -0.05 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.34 3dby h ALA 141 CO -0.04 0.66 0.48 0.78 0.00 0.00 0.00 179.25 181.13 3dby h GLY 142 N 1.24 1.08 0.87 0.00 0.00 -0.23 0.45 103.07 106.49 3dby h GLY 142 Ca 0.31 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 3dby h GLY 142 CO -0.05 0.33 -0.07 0.45 0.00 0.00 0.00 176.54 177.20 3dby h HIS 143 N 0.96 -0.18 -0.36 5.60 3.86 -0.45 0.15 115.15 124.73 3dby h HIS 143 Ca 0.29 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.48 3dby h HIS 143 Cb -0.02 0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 3dby h HIS 143 CO -0.03 0.00 0.15 0.00 0.86 0.00 0.00 177.93 178.91 3dby h ALA 144 N 0.50 0.47 -0.10 2.45 0.00 -0.98 -1.81 119.26 119.80 3dby h ALA 144 Ca -0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3dby h ALA 144 Cb 0.26 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3dby h ALA 144 CO 0.03 0.07 -0.07 0.78 0.00 0.00 0.00 179.25 180.06 3dby h GLY 145 N 0.44 0.16 1.88 0.00 0.00 0.00 -1.84 103.07 103.71 3dby h GLY 145 Ca 0.12 -0.08 -0.18 0.00 0.00 0.00 0.00 47.33 47.20 3dby h GLY 145 CO -0.01 0.08 -0.80 0.23 0.00 0.00 0.00 176.54 176.04 3dby h SER 146 N 0.14 0.14 -0.07 0.19 0.87 -0.28 -1.42 113.55 113.12 3dby h SER 146 Ca 0.03 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.48 3dby h SER 146 Cb 0.22 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 3dby h SER 146 CO 0.01 0.88 0.02 0.40 -0.53 0.00 0.00 176.83 177.61 3dby h ILE 147 N 0.07 1.15 -0.90 2.23 2.04 -0.97 -1.47 117.51 119.66 3dby h ILE 147 Ca -0.02 -0.45 0.04 0.00 1.00 0.00 0.00 64.86 65.43 3dby h ILE 147 Cb 1.39 1.33 -0.06 0.00 -0.74 0.00 0.00 36.82 38.74 3dby h ILE 147 CO 0.11 0.13 0.57 -1.28 0.00 0.00 0.00 178.15 177.68 3dby h SER 148 N -0.06 0.94 0.39 1.72 0.87 -1.09 -1.94 113.55 114.38 3dby h SER 148 Ca 0.02 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.46 3dby h SER 148 Cb 0.18 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3dby h SER 148 CO -0.00 0.63 -0.53 1.23 -0.53 0.00 0.00 176.83 177.63 3dby h GLY 149 N 1.09 0.18 1.86 5.77 0.00 -1.24 -3.26 103.07 107.48 3dby h GLY 149 Ca 0.37 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3dby h GLY 149 CO -0.14 0.18 -0.07 0.61 0.00 0.00 0.00 176.54 177.12 3dby n GLY 150 N 0.07 -1.49 3.77 4.60 0.00 -0.56 -4.89 105.19 106.69 3dby n GLY 150 Ca -0.02 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 3dby n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dby s LEU 151 N -3.19 4.29 0.49 0.99 1.43 -0.97 0.00 118.68 121.72 3dby s LEU 151 Ca 0.13 2.13 -0.22 0.00 -1.03 0.00 0.00 54.13 55.14 3dby s LEU 151 Cb 0.18 -3.98 -0.09 0.00 0.03 0.00 0.00 46.19 42.33 3dby s LEU 151 CO 0.56 -0.38 0.94 -0.67 0.23 0.00 0.00 176.35 177.04 3dby n ASP 152 N 0.38 0.86 -0.32 2.29 2.03 -0.43 -4.89 116.55 116.47 3dby n ASP 152 Ca 0.03 0.93 0.22 0.00 0.52 0.00 0.00 54.79 56.49 3dby n ASP 152 Cb 0.48 -1.34 0.42 0.00 -0.72 0.00 0.00 41.12 39.96 3dby n ASP 152 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 3dby n LEU 153 N 0.12 0.11 -0.04 -2.67 7.94 -1.26 -1.51 117.00 119.68 3dby n LEU 153 Ca 0.11 1.63 0.14 0.00 -1.11 0.00 0.00 56.01 56.78 3dby n LEU 153 Cb 0.43 -0.69 0.58 0.00 0.53 0.00 0.00 43.42 44.27 3dby n LEU 153 CO 0.54 -1.73 0.86 1.33 -1.11 0.00 0.00 177.39 177.27 3dby n VAL 154 N -5.32 0.00 -1.21 1.96 0.24 -1.26 -4.30 118.33 108.43 3dby n VAL 154 Ca 0.30 -0.02 -0.34 0.00 -2.04 0.00 0.00 64.34 62.24 3dby n VAL 154 Cb 0.99 -0.23 -0.05 0.00 -1.47 0.00 0.00 33.84 33.08 3dby n VAL 154 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3dby n GLU 155 N -1.27 3.33 -0.04 7.34 -0.58 -0.57 -4.72 120.64 124.13 3dby n GLU 155 Ca 0.11 -1.97 -0.06 0.00 -0.42 0.00 0.00 57.16 54.82 3dby n GLU 155 Cb 0.30 -2.66 0.13 0.00 -0.57 0.00 0.00 31.44 28.65 3dby n GLU 155 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3dby h LYS 156 N 4.84 0.65 -0.15 3.49 1.79 -1.82 -1.85 116.57 123.52 3dby h LYS 156 Ca 0.75 -0.26 -0.02 0.00 -2.18 0.00 0.00 60.65 58.94 3dby h LYS 156 Cb 0.43 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.05 3dby h LYS 156 CO 1.55 0.83 0.01 0.00 -1.08 0.00 0.00 179.45 180.76 3dby h ARG 157 N 0.57 0.27 -0.66 3.15 2.47 -1.97 0.66 114.38 118.86 3dby h ARG 157 Ca 0.08 -0.08 -0.06 0.00 -1.26 0.00 0.00 59.98 58.65 3dby h ARG 157 Cb 0.71 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.98 3dby h ARG 157 CO 0.05 0.48 0.17 -0.07 0.56 0.00 0.00 179.97 181.16 3dby h LEU 158 N 0.02 1.00 -0.77 3.04 3.38 -1.95 -2.39 115.31 117.64 3dby h LEU 158 Ca 0.04 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 3dby h LEU 158 Cb 0.35 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3dby h LEU 158 CO 0.01 0.97 0.32 0.50 0.09 0.00 0.00 178.44 180.33 3dby h LYS 159 N 0.98 1.15 -0.88 1.13 3.64 -1.26 -0.23 116.57 121.10 3dby h LYS 159 Ca 0.21 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3dby h LYS 159 Cb 0.36 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 3dby h LYS 159 CO 0.00 0.92 0.54 0.93 -2.27 0.00 0.00 179.45 179.58 3dby h GLU 160 N 1.11 1.19 -0.35 1.90 5.08 -0.69 -0.39 114.58 122.43 3dby h GLU 160 Ca 0.26 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 3dby h GLU 160 Cb 0.20 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3dby h GLU 160 CO -0.02 0.83 0.02 -0.22 -1.00 0.00 0.00 179.01 178.61 3dby h LYS 161 N 1.21 0.60 -0.43 2.33 1.63 -1.15 -2.23 116.57 118.53 3dby h LYS 161 Ca 0.32 -0.18 -0.11 0.00 -0.85 0.00 0.00 60.65 59.82 3dby h LYS 161 Cb -0.07 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.49 3dby h LYS 161 CO -0.06 0.71 -0.18 0.66 -3.45 0.00 0.00 179.45 177.13 3dby h SER 162 N 0.42 0.84 -1.00 4.20 4.64 -0.84 -2.36 113.55 119.45 3dby h SER 162 Ca 0.10 -0.29 0.17 0.00 -0.47 0.00 0.00 61.79 61.31 3dby h SER 162 Cb 0.42 -0.23 -0.10 0.00 -0.31 0.00 0.00 62.40 62.18 3dby h SER 162 CO 0.01 1.01 0.62 -0.33 -0.87 0.00 0.00 176.83 177.27 3dby h GLU 163 N 0.74 0.77 -0.06 4.77 4.39 -0.99 -0.60 114.58 123.61 3dby h GLU 163 Ca 0.11 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 3dby h GLU 163 Cb 0.70 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 3dby h GLU 163 CO 0.05 0.51 0.03 0.93 -1.16 0.00 0.00 179.01 179.37 3dby h GLU 164 N 0.80 0.08 -0.18 2.33 5.08 -1.02 -1.72 114.58 119.96 3dby h GLU 164 Ca 0.55 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.95 3dby h GLU 164 Cb 0.82 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.01 3dby h GLU 164 CO -0.34 0.18 -0.13 0.74 -1.00 0.00 0.00 179.01 178.46 3dby h PHE 165 N -0.03 -0.31 -0.65 4.33 0.04 -1.10 -0.74 116.94 118.47 3dby h PHE 165 Ca 0.02 0.02 0.11 0.00 2.80 0.00 0.00 57.97 60.93 3dby h PHE 165 Cb 0.12 0.17 -0.08 0.00 2.20 0.00 0.00 35.95 38.35 3dby h PHE 165 CO -0.03 -0.19 0.22 1.15 -0.60 0.00 0.00 178.31 178.86 3dby h THR 166 N -0.13 0.70 -0.43 -1.55 2.02 -0.91 -1.13 112.91 111.48 3dby h THR 166 Ca 0.11 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 3dby h THR 166 Cb 0.29 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 3dby h THR 166 CO -0.26 0.07 0.21 0.50 0.37 0.00 0.00 175.52 176.41 3dby h LYS 167 N 0.38 0.62 -0.73 6.66 3.64 -1.13 -1.53 116.57 124.49 3dby h LYS 167 Ca 0.34 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 3dby h LYS 167 Cb 0.47 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 3dby h LYS 167 CO -0.36 0.54 0.40 0.45 -2.27 0.00 0.00 179.45 178.21 3dby h HIS 168 N 0.56 0.99 -0.44 1.91 3.86 -0.18 -1.34 115.15 120.52 3dby h HIS 168 Ca 0.15 -0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.23 3dby h HIS 168 Cb 0.12 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.26 3dby h HIS 168 CO -0.01 0.70 -0.13 0.74 0.86 0.00 0.00 177.93 180.09 3dby h PHE 169 N 1.00 0.96 -0.48 2.45 0.04 -1.10 -0.72 116.94 119.10 3dby h PHE 169 Ca 0.26 -0.21 0.04 0.00 2.80 0.00 0.00 57.97 60.85 3dby h PHE 169 Cb 0.03 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 37.91 3dby h PHE 169 CO -0.00 0.97 0.23 0.93 -0.60 0.00 0.00 178.31 179.84 3dby h GLU 170 N 0.68 0.45 -0.61 1.51 5.08 -0.99 0.17 114.58 120.88 3dby h GLU 170 Ca 0.11 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3dby h GLU 170 Cb 0.67 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 3dby h GLU 170 CO 0.05 0.30 0.19 1.96 -1.00 0.00 0.00 179.01 180.51 3dby h GLN 171 N 0.46 0.94 -0.87 2.33 4.20 -1.11 -1.40 115.11 119.67 3dby h GLN 171 Ca 0.21 -0.20 0.01 0.00 0.06 0.00 0.00 58.65 58.73 3dby h GLN 171 Cb 0.12 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 3dby h GLN 171 CO -0.15 0.84 0.58 0.74 -0.67 0.00 0.00 178.83 180.16 3dby h PHE 172 N 0.87 1.09 -0.55 2.96 0.04 -0.78 -2.56 116.94 118.01 3dby h PHE 172 Ca 0.20 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.97 3dby h PHE 172 Cb 0.29 -0.37 -0.03 0.00 2.20 0.00 0.00 35.95 38.04 3dby h PHE 172 CO 0.02 0.68 0.27 -0.92 -0.60 0.00 0.00 178.31 177.76 3dby h TYR 173 N 1.17 0.78 -0.89 -0.55 3.20 -0.20 0.28 116.97 120.76 3dby h TYR 173 Ca 0.32 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.20 3dby h TYR 173 Cb -0.12 -0.24 -0.06 0.00 1.54 0.00 0.00 36.73 37.85 3dby h TYR 173 CO -0.01 0.60 0.57 -0.07 -1.64 0.00 0.00 178.16 177.61 3dby h LEU 174 N 0.73 0.94 -0.24 2.82 3.38 -1.11 -0.31 115.31 121.52 3dby h LEU 174 Ca 0.19 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3dby h LEU 174 Cb 0.11 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3dby h LEU 174 CO -0.02 0.63 0.07 0.50 0.09 0.00 0.00 178.44 179.71 3dby h LYS 175 N 1.09 0.38 -0.86 1.13 3.64 -1.08 -2.56 116.57 118.31 3dby h LYS 175 Ca 0.37 -0.08 0.16 0.00 -1.27 0.00 0.00 60.65 59.83 3dby h LYS 175 Cb 0.06 -0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 31.72 3dby h LYS 175 CO -0.14 0.47 0.43 0.00 -2.27 0.00 0.00 179.45 177.94 3dby h ALA 176 N 0.90 1.33 -0.35 5.00 0.00 0.23 -1.88 119.26 124.49 3dby h ALA 176 Ca 0.08 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3dby h ALA 176 Cb 0.24 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3dby h ALA 176 CO -0.00 -0.15 0.03 0.28 0.00 0.00 0.00 179.25 179.42 3dby h VAL 177 N 0.58 1.25 -0.42 0.00 2.07 -0.88 -1.25 116.25 117.59 3dby h VAL 177 Ca 0.49 -0.89 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 3dby h VAL 177 Cb 0.75 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 3dby h VAL 177 CO -0.40 0.30 0.08 -0.33 0.02 0.00 0.00 177.57 177.24 3dby h GLU 178 N 0.42 0.70 -0.63 1.57 4.39 -1.27 -2.98 114.58 116.77 3dby h GLU 178 Ca 0.10 -0.18 0.02 0.00 0.34 0.00 0.00 59.36 59.64 3dby h GLU 178 Cb 0.40 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 3dby h GLU 178 CO 0.01 0.72 0.42 0.52 -1.16 0.00 0.00 179.01 179.53 3dby h MET 179 N 0.56 0.80 -0.54 2.33 2.86 -1.15 0.94 114.93 120.72 3dby h MET 179 Ca 0.13 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 3dby h MET 179 Cb 0.36 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 3dby h MET 179 CO 0.01 0.53 0.23 1.15 1.06 0.00 0.00 176.91 179.88 3dby h THR 180 N 0.82 1.19 -0.26 2.22 2.02 -1.14 -2.18 112.91 115.59 3dby h THR 180 Ca 0.24 -0.59 -0.12 0.00 0.77 0.00 0.00 66.41 66.71 3dby h THR 180 Cb -0.04 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 3dby h THR 180 CO -0.06 0.24 -0.35 1.23 0.37 0.00 0.00 175.52 176.95 3dby h GLY 181 N 0.90 0.61 1.26 2.16 0.00 -0.72 -2.29 103.07 104.99 3dby h GLY 181 Ca 0.19 -0.57 0.10 0.00 0.00 0.00 0.00 47.33 47.05 3dby h GLY 181 CO -0.02 0.52 0.27 -0.97 0.00 0.00 0.00 176.54 176.34 3dby h TYR 182 N 0.47 0.00 0.00 5.60 0.05 -0.62 -2.13 116.97 120.34 3dby h TYR 182 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.83 3dby h TYR 182 Cb 0.83 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.57 3dby h TYR 182 CO 0.03 0.00 0.00 -0.07 -1.05 0.00 0.00 178.16 177.07 3dby h LEU 183 N 0.00 0.00 -1.22 3.88 3.38 -1.07 -0.97 115.31 119.30 3dby h LEU 183 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3dby h LEU 183 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3dby h LEU 183 CO -0.00 0.00 0.00 0.03 0.09 0.00 0.00 178.44 178.56 3dby h ARG 184 N 0.00 0.00 0.00 1.13 3.08 -1.53 0.11 114.38 117.17 3dby h ARG 184 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dby h ARG 184 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3dby h ARG 184 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.15 3dby n THR 185 N -2.58 1.05 -0.37 2.04 -2.24 -0.37 -4.87 114.28 106.95 3dby n THR 185 Ca 0.01 0.45 0.00 0.00 -2.27 0.00 0.00 64.05 62.24 3dby n THR 185 Cb 0.22 -1.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.04 3dby n THR 185 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dby n GLU 186 N -2.09 0.00 -2.68 -0.78 1.02 0.38 -4.98 120.64 111.50 3dby n GLU 186 Ca 0.01 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.72 3dby n GLU 186 Cb 0.12 -2.20 -0.03 0.00 -0.02 0.00 0.00 31.44 29.32 3dby n GLU 186 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3dby s LEU 187 N 0.00 3.76 0.00 -4.62 2.96 -1.26 -4.92 118.68 114.59 3dby s LEU 187 Ca 0.00 0.24 0.20 0.00 -0.22 0.00 0.00 54.13 54.35 3dby s LEU 187 Cb 0.00 -3.33 -0.05 0.00 0.50 0.00 0.00 46.19 43.31 3dby s LEU 187 CO 0.00 -1.23 0.96 1.41 -1.32 0.00 0.00 176.35 176.18 3dby n HIS 188 N 7.70 0.00 -3.80 5.38 8.25 -1.26 -4.58 115.22 126.91 3dby n HIS 188 Ca 0.09 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.42 3dby n HIS 188 Cb 0.49 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.46 3dby n HIS 188 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3dby s HIS 189 N -2.37 -0.11 0.04 4.41 3.76 -1.26 -5.06 115.29 114.71 3dby s HIS 189 Ca 0.15 0.32 -0.27 0.00 -0.15 0.00 0.00 55.06 55.10 3dby s HIS 189 Cb 0.16 -0.03 0.07 0.00 1.11 0.00 0.00 32.58 33.89 3dby s HIS 189 CO 0.56 -0.09 0.67 -0.59 -0.85 0.00 0.00 174.74 174.44 3dby s PHE 190 N 0.51 -0.57 0.30 1.40 -0.12 -1.26 -5.08 117.98 113.16 3dby s PHE 190 Ca -0.04 0.69 0.02 0.00 -0.05 0.00 0.00 56.93 57.55 3dby s PHE 190 Cb -0.05 0.49 0.57 0.00 -0.63 0.00 0.00 43.02 43.39 3dby s PHE 190 CO -0.02 -0.70 1.89 -1.35 -0.05 0.00 0.00 175.22 174.98 3dby h PRO 191 N 2.46 0.96 -0.24 1.99 0.11 -2.01 -1.16 132.00 134.12 3dby h PRO 191 Ca -0.29 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.72 3dby h PRO 191 Cb 1.22 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 3dby h PRO 191 CO 0.38 0.63 -0.01 0.00 -0.21 0.00 0.00 178.00 178.79 3dby h ALA 192 N 1.52 1.55 -0.16 -0.75 0.00 -1.99 -1.34 119.26 118.10 3dby h ALA 192 Ca 0.43 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.98 3dby h ALA 192 Cb 0.34 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.02 3dby h ALA 192 CO -0.18 0.33 -0.70 1.25 0.00 0.00 0.00 179.25 179.94 3dby h LEU 193 N 0.34 0.89 -0.71 0.00 5.85 -1.64 -1.12 115.31 118.92 3dby h LEU 193 Ca 0.08 -0.62 -0.05 0.00 0.84 0.00 0.00 57.88 58.13 3dby h LEU 193 Cb 0.24 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3dby h LEU 193 CO 0.01 1.36 0.25 0.11 -0.34 0.00 0.00 178.44 179.83 3dby h LYS 194 N 0.47 1.09 -0.33 1.25 1.79 -1.20 -0.90 116.57 118.74 3dby h LYS 194 Ca -0.04 -0.22 -0.14 0.00 -2.18 0.00 0.00 60.65 58.07 3dby h LYS 194 Cb 1.33 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.80 3dby h LYS 194 CO 0.15 0.92 -0.34 -0.22 -1.08 0.00 0.00 179.45 178.87 3dby h LYS 195 N 1.04 0.75 -0.15 3.15 1.63 -1.27 -2.31 116.57 119.41 3dby h LYS 195 Ca 0.23 -0.36 0.01 0.00 -0.85 0.00 0.00 60.65 59.69 3dby h LYS 195 Cb 0.26 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.87 3dby h LYS 195 CO -0.01 0.98 0.05 0.35 -3.45 0.00 0.00 179.45 177.36 3dby h PHE 196 N 0.63 0.08 -0.38 1.91 3.57 -0.95 -0.60 116.94 121.20 3dby h PHE 196 Ca 0.06 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 3dby h PHE 196 Cb 0.87 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 3dby h PHE 196 CO 0.04 0.04 0.22 1.15 -2.23 0.00 0.00 178.31 177.54 3dby h THR 197 N 0.12 1.11 -0.07 4.41 2.02 -0.98 0.11 112.91 119.63 3dby h THR 197 Ca 0.06 -0.27 -0.11 0.00 0.77 0.00 0.00 66.41 66.87 3dby h THR 197 Cb 0.04 0.59 0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3dby h THR 197 CO -0.07 0.12 -0.37 0.11 0.37 0.00 0.00 175.52 175.68 3dby h LYS 198 N 0.52 0.38 -0.56 6.66 1.57 -1.09 -1.46 116.57 122.59 3dby h LYS 198 Ca 0.14 -0.31 0.11 0.00 -1.87 0.00 0.00 60.65 58.72 3dby h LYS 198 Cb -0.01 0.07 -0.11 0.00 0.08 0.00 0.00 32.23 32.26 3dby h LYS 198 CO -0.03 0.95 -0.14 -0.44 -0.57 0.00 0.00 179.45 179.23 3dby h ASP 199 N -0.10 -0.53 -0.76 0.86 3.32 -0.88 -0.13 116.42 118.20 3dby h ASP 199 Ca -0.03 0.17 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 3dby h ASP 199 Cb 1.03 0.35 -0.03 0.00 0.22 0.00 0.00 39.33 40.90 3dby h ASP 199 CO 0.08 -0.19 0.32 0.58 -1.72 0.00 0.00 179.24 178.31 3dby h VAL 200 N -0.00 1.25 -0.51 -1.35 2.07 -0.74 -2.54 116.25 114.43 3dby h VAL 200 Ca 0.27 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 3dby h VAL 200 Cb 0.41 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3dby h VAL 200 CO -0.58 0.32 0.12 0.28 0.02 0.00 0.00 177.57 177.74 3dby h SER 201 N 1.12 0.78 -0.42 0.57 0.02 -0.50 -0.96 113.55 114.17 3dby h SER 201 Ca 0.26 -0.23 0.06 0.00 -0.84 0.00 0.00 61.79 61.04 3dby h SER 201 Cb 0.19 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.47 3dby h SER 201 CO -0.02 0.81 0.09 -0.07 -1.14 0.00 0.00 176.83 176.50 3dby h LEU 202 N 0.72 0.03 -0.66 5.07 4.07 -0.94 -2.22 115.31 121.37 3dby h LEU 202 Ca 0.16 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.19 3dby h LEU 202 Cb 0.34 0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.13 3dby h LEU 202 CO 0.00 0.05 0.43 -0.08 -1.08 0.00 0.00 178.44 177.76 3dby h GLU 203 N 0.23 0.87 -0.32 1.13 4.57 -1.01 -1.46 114.58 118.60 3dby h GLU 203 Ca 0.20 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.29 3dby h GLU 203 Cb 0.24 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 3dby h GLU 203 CO -0.25 0.59 0.06 -0.07 -1.18 0.00 0.00 179.01 178.15 3dby h LEU 204 N 0.89 0.43 0.10 1.64 3.38 -0.92 0.12 115.31 120.94 3dby h LEU 204 Ca 0.24 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 3dby h LEU 204 Cb -0.09 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3dby h LEU 204 CO -0.05 0.45 -0.05 0.50 0.09 0.00 0.00 178.44 179.38 3dby h LYS 205 N 0.46 -0.13 -0.98 1.13 1.63 -1.08 -0.15 116.57 117.45 3dby h LYS 205 Ca 0.11 0.01 0.08 0.00 -0.85 0.00 0.00 60.65 59.99 3dby h LYS 205 Cb 0.21 0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 31.80 3dby h LYS 205 CO -0.00 0.19 0.63 -0.07 -3.45 0.00 0.00 179.45 176.75 3dby h LEU 206 N -0.45 0.99 -0.17 5.20 3.38 -0.64 -1.39 115.31 122.23 3dby h LEU 206 Ca -0.01 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3dby h LEU 206 Cb 0.38 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3dby h LEU 206 CO 0.02 0.61 -0.09 0.15 0.09 0.00 0.00 178.44 179.22 3dby h PHE 207 N 1.11 0.42 -0.49 1.13 3.57 -0.71 -0.55 116.94 121.41 3dby h PHE 207 Ca 0.44 -0.11 0.09 0.00 3.53 0.00 0.00 57.97 61.92 3dby h PHE 207 Cb 0.24 -0.10 -0.07 0.00 2.79 0.00 0.00 35.95 38.81 3dby h PHE 207 CO -0.00 0.68 0.06 0.77 -2.23 0.00 0.00 178.31 177.59 3dby h SER 208 N 0.04 -0.08 -0.32 0.41 0.02 -0.85 0.88 113.55 113.64 3dby h SER 208 Ca 0.04 0.10 0.07 0.00 -0.84 0.00 0.00 61.79 61.16 3dby h SER 208 Cb 0.57 0.16 -0.07 0.00 0.14 0.00 0.00 62.40 63.20 3dby h SER 208 CO 0.03 -0.01 -0.15 0.45 -1.14 0.00 0.00 176.83 176.01 3dby h HIS 209 N 0.19 -0.35 -0.38 3.45 3.86 -0.94 -0.82 115.15 120.16 3dby h HIS 209 Ca 0.25 0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.53 3dby h HIS 209 Cb 0.35 0.21 -0.03 0.00 1.06 0.00 0.00 27.41 29.00 3dby h HIS 209 CO -0.26 -0.22 0.18 0.35 0.86 0.00 0.00 177.93 178.84 3dby h PHE 210 N -0.09 0.32 -0.89 2.45 3.57 0.28 -0.75 116.94 121.83 3dby h PHE 210 Ca 0.17 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.78 3dby h PHE 210 Cb 0.34 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 38.93 3dby h PHE 210 CO -0.36 0.16 0.58 -0.07 -2.23 0.00 0.00 178.31 176.39 3dby h LEU 211 N 0.36 0.80 -0.19 0.59 3.38 0.15 -1.02 115.31 119.38 3dby h LEU 211 Ca 0.16 0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.94 3dby h LEU 211 Cb 0.09 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.71 3dby h LEU 211 CO -0.13 0.47 -0.82 0.45 0.09 0.00 0.00 178.44 178.50 3dby h HIS 212 N 0.88 0.93 -0.63 1.13 3.86 -0.20 -0.48 115.15 120.63 3dby h HIS 212 Ca 0.42 -0.43 0.07 0.00 -1.16 0.00 0.00 60.37 59.27 3dby h HIS 212 Cb 0.42 -0.14 -0.06 0.00 1.06 0.00 0.00 27.41 28.70 3dby h HIS 212 CO -0.00 1.25 0.32 1.49 0.86 0.00 0.00 177.93 181.84 3dby h GLU 213 N 0.44 0.56 -0.39 2.45 4.81 -0.61 -0.71 114.58 121.13 3dby h GLU 213 Ca -0.06 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.03 3dby h GLU 213 Cb 1.44 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 3dby h GLU 213 CO 0.16 0.37 -0.17 0.28 -0.73 0.00 0.00 179.01 178.92 3dby h VAL 214 N 0.57 1.28 -0.77 0.32 2.07 -0.83 -1.89 116.25 117.01 3dby h VAL 214 Ca 0.30 -1.29 0.08 0.00 0.82 0.00 0.00 66.70 66.60 3dby h VAL 214 Cb 0.25 1.29 -0.07 0.00 -1.52 0.00 0.00 31.29 31.25 3dby h VAL 214 CO -0.22 0.43 0.44 -0.08 0.02 0.00 0.00 177.57 178.16 3dby h GLU 215 N 0.61 0.74 -0.61 1.57 4.81 -0.89 -0.58 114.58 120.23 3dby h GLU 215 Ca 0.09 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 3dby h GLU 215 Cb 0.71 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 3dby h GLU 215 CO 0.05 0.49 0.14 0.93 -0.73 0.00 0.00 179.01 179.90 3dby h GLU 216 N 0.76 0.98 -0.61 1.92 5.08 -0.82 -1.02 114.58 120.87 3dby h GLU 216 Ca 0.36 -0.24 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 3dby h GLU 216 Cb 0.27 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3dby h GLU 216 CO -0.22 0.89 0.06 -0.07 -1.00 0.00 0.00 179.01 178.68 3dby h LEU 217 N 0.89 0.99 -0.58 1.33 3.38 -0.96 0.47 115.31 120.83 3dby h LEU 217 Ca 0.19 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3dby h LEU 217 Cb 0.36 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3dby h LEU 217 CO 0.00 1.01 0.21 -0.33 0.09 0.00 0.00 178.44 179.42 3dby h GLU 218 N 0.95 0.88 -0.50 1.13 4.39 -0.93 0.24 114.58 120.74 3dby h GLU 218 Ca 0.18 -0.17 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 3dby h GLU 218 Cb 0.47 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 3dby h GLU 218 CO 0.02 0.77 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.54 3dby h LEU 219 N 0.81 0.85 -0.35 1.33 3.38 -0.78 -2.16 115.31 118.39 3dby h LEU 219 Ca 0.19 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3dby h LEU 219 Cb 0.24 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3dby h LEU 219 CO -0.01 0.93 -0.10 -1.54 0.09 0.00 0.00 178.44 177.81 3dby n SER 220 N -4.19 0.65 -1.37 -0.43 3.41 0.12 -4.91 113.62 106.91 3dby n SER 220 Ca 0.02 -0.79 -0.15 0.00 -0.26 0.00 0.00 58.87 57.69 3dby n SER 220 Cb 0.34 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.22 3dby n SER 220 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3dby n ASN 221 N -0.75 -4.61 0.04 4.04 3.02 0.57 -4.89 115.26 112.68 3dby n ASN 221 Ca 0.16 0.19 0.12 0.00 -0.03 0.00 0.00 54.58 55.02 3dby n ASN 221 Cb 0.28 -3.56 0.28 0.00 -0.61 0.00 0.00 39.78 36.16 3dby n ASN 221 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3dby n GLU 222 N -2.50 0.17 -4.24 3.52 1.02 0.30 -4.85 120.64 114.06 3dby n GLU 222 Ca -0.16 0.07 -0.34 0.00 -0.02 0.00 0.00 57.16 56.70 3dby n GLU 222 Cb 0.55 -1.62 -0.08 0.00 -0.02 0.00 0.00 31.44 30.26 3dby n GLU 222 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3dby s VAL 223 N -3.09 4.52 -0.22 2.62 0.11 -1.23 -5.05 120.40 118.06 3dby s VAL 223 Ca 0.09 -0.29 -0.18 0.00 -2.93 0.00 0.00 61.98 58.67 3dby s VAL 223 Cb 0.15 -2.97 -0.03 0.00 -1.53 0.00 0.00 36.38 32.00 3dby s VAL 223 CO 0.68 0.51 0.49 -0.76 -3.33 0.00 0.00 175.10 172.69 3dby s LEU 224 N -1.22 4.11 -0.02 2.54 1.43 -1.26 -4.90 118.68 119.36 3dby s LEU 224 Ca 0.17 0.58 -0.30 0.00 -1.03 0.00 0.00 54.13 53.55 3dby s LEU 224 Cb -0.12 -2.65 0.12 0.00 0.03 0.00 0.00 46.19 43.57 3dby s LEU 224 CO 0.07 -0.20 1.31 -0.94 0.23 0.00 0.00 176.35 176.81 3dby s SER 225 N 1.29 -0.04 -0.17 2.29 1.04 -1.26 -1.31 113.70 115.55 3dby s SER 225 Ca 0.22 -0.13 0.17 0.00 0.48 0.00 0.00 55.95 56.68 3dby s SER 225 Cb -0.15 0.14 0.49 0.00 0.10 0.00 0.00 66.02 66.60 3dby s SER 225 CO 0.09 -0.27 1.38 1.33 0.98 0.00 0.00 173.24 176.76 3dby n VAL 226 N -0.55 2.19 -2.80 5.02 0.24 0.10 -4.90 118.33 117.63 3dby n VAL 226 Ca -0.07 -1.89 -0.21 0.00 -2.04 0.00 0.00 64.34 60.13 3dby n VAL 226 Cb 0.62 -0.22 0.07 0.00 -1.47 0.00 0.00 33.84 32.85 3dby n VAL 226 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3dby s LEU 227 N -2.76 3.12 0.05 1.34 1.43 -1.26 -5.03 118.68 115.58 3dby s LEU 227 Ca 0.40 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 3dby s LEU 227 Cb 0.32 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 3dby s LEU 227 CO 0.08 -1.49 -0.04 -0.94 0.23 0.00 0.00 176.35 174.20 3dby s SER 228 N -4.64 0.56 0.29 2.29 1.04 -1.26 -5.04 113.70 106.95 3dby s SER 228 Ca 0.63 -0.83 0.03 0.00 0.48 0.00 0.00 55.95 56.26 3dby s SER 228 Cb -0.06 0.14 0.60 0.00 0.10 0.00 0.00 66.02 66.80 3dby s SER 228 CO 0.41 -0.46 1.84 0.00 0.98 0.00 0.00 173.24 176.01 3dby h ALA 229 N 3.65 1.57 -0.46 5.32 0.00 -1.87 -2.26 119.26 125.21 3dby h ALA 229 Ca -0.34 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 3dby h ALA 229 Cb 1.17 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3dby h ALA 229 CO 0.57 0.18 0.04 -0.09 0.00 0.00 0.00 179.25 179.94 3dby h ARG 230 N 0.94 0.73 -0.29 0.00 2.43 -1.96 -1.27 114.38 114.97 3dby h ARG 230 Ca 0.49 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.47 3dby h ARG 230 Cb 0.53 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3dby h ARG 230 CO -0.26 0.72 0.11 1.98 -1.51 0.00 0.00 179.97 181.01 3dby h MET 231 N 0.70 0.44 -0.23 0.20 4.05 -1.83 0.14 114.93 118.39 3dby h MET 231 Ca 0.14 -0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 3dby h MET 231 Cb 0.37 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 3dby h MET 231 CO 0.01 0.47 0.11 0.00 0.23 0.00 0.00 176.91 177.73 3dby h ALA 232 N 0.94 0.30 -0.25 0.39 0.00 -1.19 -0.87 119.26 118.59 3dby h ALA 232 Ca 0.10 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3dby h ALA 232 Cb 0.21 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 3dby h ALA 232 CO -0.01 -0.14 -0.20 0.22 0.00 0.00 0.00 179.25 179.13 3dby h ASP 233 N 0.24 -0.66 -0.62 0.00 3.58 -1.25 -0.04 116.42 117.68 3dby h ASP 233 Ca 0.08 0.13 0.13 0.00 0.42 0.00 0.00 57.03 57.78 3dby h ASP 233 Cb 0.13 0.32 -0.10 0.00 1.72 0.00 0.00 39.33 41.40 3dby h ASP 233 CO -0.01 -0.24 0.04 -0.74 -2.88 0.00 0.00 179.24 175.41 3dby h HIS 234 N -0.20 0.03 -0.43 0.28 2.76 -0.46 -0.85 115.15 116.27 3dby h HIS 234 Ca 0.14 0.04 -0.12 0.00 -2.20 0.00 0.00 60.37 58.23 3dby h HIS 234 Cb 0.41 0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 3dby h HIS 234 CO -0.37 -0.13 -0.19 0.52 -1.30 0.00 0.00 177.93 176.46 3dby h MET 235 N 0.15 0.90 -0.77 5.26 2.86 -0.70 -2.36 114.93 120.26 3dby h MET 235 Ca 0.33 -0.38 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3dby h MET 235 Cb 0.53 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.12 3dby h MET 235 CO -0.50 1.03 0.42 0.00 1.06 0.00 0.00 176.91 178.92 3dby h ALA 236 N 0.84 0.99 -0.22 6.32 0.00 -0.61 -0.34 119.26 126.24 3dby h ALA 236 Ca 0.10 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3dby h ALA 236 Cb 0.76 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3dby h ALA 236 CO 0.06 0.50 0.12 0.00 0.00 0.00 0.00 179.25 179.94 3dby h ARG 237 N 1.07 0.30 -0.57 0.00 3.08 -1.04 0.36 114.38 117.57 3dby h ARG 237 Ca 0.27 -0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.37 3dby h ARG 237 Cb 0.04 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 29.97 3dby h ARG 237 CO -0.04 0.27 0.22 0.93 -1.07 0.00 0.00 179.97 180.28 3dby h GLU 238 N 0.25 0.41 -0.97 0.04 5.08 -1.25 0.15 114.58 118.28 3dby h GLU 238 Ca 0.08 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3dby h GLU 238 Cb 0.06 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 3dby h GLU 238 CO -0.01 0.27 0.64 0.93 -1.00 0.00 0.00 179.01 179.84 3dby h GLU 239 N 0.42 1.25 -0.39 2.33 4.39 -0.88 -1.64 114.58 120.05 3dby h GLU 239 Ca 0.28 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 3dby h GLU 239 Cb 0.31 -0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3dby h GLU 239 CO -0.27 0.83 0.22 0.00 -1.16 0.00 0.00 179.01 178.63 3dby h TYR 241 N 0.51 0.66 -0.01 0.00 3.20 -0.19 -0.43 116.97 120.71 3dby h TYR 241 Ca 0.14 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 3dby h TYR 241 Cb 0.05 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.11 3dby h TYR 241 CO -0.03 0.35 -0.03 -0.92 -1.64 0.00 0.00 178.16 175.89 3dby h TYR 242 N 0.65 0.05 -0.88 -3.82 3.20 -0.83 -2.13 116.97 113.21 3dby h TYR 242 Ca 0.28 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.25 3dby h TYR 242 Cb 0.29 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.48 3dby h TYR 242 CO -0.00 0.66 0.57 1.25 -1.64 0.00 0.00 178.16 179.00 3dby h LEU 243 N -0.58 0.74 -0.24 2.82 5.85 -0.59 -0.96 115.31 122.34 3dby h LEU 243 Ca -0.00 0.03 -0.16 0.00 0.84 0.00 0.00 57.88 58.59 3dby h LEU 243 Cb 0.66 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3dby h LEU 243 CO 0.01 0.42 -0.48 0.25 -0.34 0.00 0.00 178.44 178.29 3dby h LEU 244 N 0.80 0.84 -0.96 2.25 7.12 -1.03 -1.65 115.31 122.68 3dby h LEU 244 Ca 0.42 -0.54 -0.07 0.00 0.13 0.00 0.00 57.88 57.81 3dby h LEU 244 Cb 0.51 -0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 40.38 3dby h LEU 244 CO -0.18 1.22 -0.05 0.11 -0.13 0.00 0.00 178.44 179.41 3dby h LYS 245 N 0.48 0.71 -0.77 1.25 1.79 -1.01 -1.72 116.57 117.30 3dby h LYS 245 Ca 0.01 -0.20 -0.03 0.00 -2.18 0.00 0.00 60.65 58.25 3dby h LYS 245 Cb 1.08 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 31.62 3dby h LYS 245 CO 0.11 0.75 0.37 -0.07 -1.08 0.00 0.00 179.45 179.53 3dby h LEU 246 N 0.66 1.00 -0.32 2.94 3.38 -1.09 -1.37 115.31 120.50 3dby h LEU 246 Ca 0.12 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3dby h LEU 246 Cb 0.48 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3dby h LEU 246 CO 0.02 0.85 -0.08 0.00 0.09 0.00 0.00 178.44 179.32 3dby h ALA 247 N 1.19 0.44 0.65 1.53 0.00 -1.05 0.16 119.26 122.18 3dby h ALA 247 Ca 0.26 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3dby h ALA 247 Cb 0.12 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.80 3dby h ALA 247 CO -0.03 0.28 -0.31 1.96 0.00 0.00 0.00 179.25 181.14 3dby h GLN 248 N 0.39 -0.84 -0.62 0.00 4.20 -1.30 -0.05 115.11 116.89 3dby h GLN 248 Ca 0.08 0.06 0.10 0.00 0.06 0.00 0.00 58.65 58.95 3dby h GLN 248 Cb 0.58 0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.51 3dby h GLN 248 CO 0.03 -0.56 0.42 0.66 -0.67 0.00 0.00 178.83 178.71 3dby h SER 249 N -1.10 0.38 0.09 1.46 4.64 -1.33 -3.22 113.55 114.46 3dby h SER 249 Ca -0.09 0.01 -0.36 0.00 -0.47 0.00 0.00 61.79 60.88 3dby h SER 249 Cb 0.67 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 62.63 3dby h SER 249 CO 0.15 0.22 -2.27 -0.24 -0.87 0.00 0.00 176.83 173.82 3dby n SER 250 N -4.47 0.99 0.00 4.97 2.88 0.56 -4.62 113.62 113.94 3dby n SER 250 Ca 0.10 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 3dby n SER 250 Cb 0.39 0.19 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 3dby n SER 250 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dby n GLY 251 N 1.91 0.60 3.61 0.46 0.00 -0.09 -5.05 105.19 106.64 3dby n GLY 251 Ca -0.35 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 3dby n GLY 251 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dby s LEU 252 N 0.00 2.95 0.51 0.99 1.43 -0.86 -5.06 118.68 118.64 3dby s LEU 252 Ca 0.00 -0.99 -0.22 0.00 -1.03 0.00 0.00 54.13 51.90 3dby s LEU 252 Cb 0.00 -1.33 -0.06 0.00 0.03 0.00 0.00 46.19 44.83 3dby s LEU 252 CO 0.00 -0.20 1.22 -1.61 0.23 0.00 0.00 176.35 175.99 3dby s GLU 253 N -3.69 3.42 0.19 1.70 2.02 -1.26 -4.61 118.70 116.48 3dby s GLU 253 Ca 0.34 1.88 -0.31 0.00 0.02 0.00 0.00 54.97 56.90 3dby s GLU 253 Cb -0.01 -2.24 -0.10 0.00 0.10 0.00 0.00 34.13 31.88 3dby s GLU 253 CO 0.19 -0.86 1.50 -1.64 0.02 0.00 0.00 175.26 174.47 3dby s MET 254 N -2.92 4.24 0.51 1.61 -1.94 -1.26 -4.87 119.30 114.68 3dby s MET 254 Ca 0.69 2.31 -0.21 0.00 -1.71 0.00 0.00 55.69 56.77 3dby s MET 254 Cb -0.31 -3.14 -0.07 0.00 2.01 0.00 0.00 34.83 33.31 3dby s MET 254 CO 0.37 -0.52 1.04 -0.35 -0.01 0.00 0.00 175.02 175.55 3dby n PRO 255 N 3.31 1.24 -3.04 2.03 -0.04 -1.26 -4.94 135.00 132.30 3dby n PRO 255 Ca 0.11 0.46 -0.44 0.00 -0.04 0.00 0.00 63.50 63.58 3dby n PRO 255 Cb 0.39 -2.18 -0.00 0.00 -0.04 0.00 0.00 33.50 31.67 3dby n PRO 255 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3dby s LYS 256 N -2.44 4.13 0.13 0.54 -2.85 -1.26 -4.94 119.74 113.05 3dby s LYS 256 Ca 0.69 -2.75 -0.18 0.00 -1.00 0.00 0.00 55.97 52.72 3dby s LYS 256 Cb -0.47 -4.94 0.05 0.00 -2.06 0.00 0.00 37.83 30.40 3dby s LYS 256 CO 0.52 -1.64 0.47 0.00 0.10 0.00 0.00 175.35 174.80 3dby s ASN 258 N -2.76 4.23 0.00 0.00 3.84 -1.26 -4.96 114.94 114.03 3dby s ASN 258 Ca 0.02 -0.96 0.29 0.00 0.21 0.00 0.00 52.86 52.42 3dby s ASN 258 Cb 0.01 -1.63 1.36 0.00 -0.55 0.00 0.00 41.25 40.45 3dby s ASN 258 CO -0.12 -0.13 1.97 -0.81 -2.79 0.00 0.00 177.10 175.21 3dby n PRO 259 N 4.62 0.26 -0.02 0.43 -0.04 -1.26 -3.46 135.00 135.52 3dby n PRO 259 Ca -0.16 0.01 -0.06 0.00 -0.04 0.00 0.00 63.50 63.25 3dby n PRO 259 Cb 0.46 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.29 3dby n PRO 259 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3dby n LEU 260 N -1.36 0.66 0.00 1.53 4.77 -1.26 -4.79 117.00 116.55 3dby n LEU 260 Ca 0.11 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 3dby n LEU 260 Cb 0.27 0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3dby n LEU 260 CO 0.24 0.34 0.00 -0.62 -1.33 0.00 0.00 177.39 176.01